Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N1C2=NC3=C(N2C=C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)NC(=O)N3C

InChIKey

InChIKey=HVTSKKYMAQPZIW-UHFFFAOYSA-N

Formula

C21H16N6O5

Mass

432.396

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 1-phenylimidazole - 4-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Alkaloid or derivatives - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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